2,4-ジクロロ-6-メチルトリアジン

2,4-Dichloro-6-methyl-1,3,5-triazine

HCID 16083

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1973-04-2
標準SMILES: Cc1nc(Cl)nc(Cl)n1
InChIKey: BFUGAHPTVMZLAC-UHFFFAOYSA-N
分子式: C4H3Cl2N3
平均分子量: 163.99 g/mol
単同位体質量: 162.9704025

名称と識別子

優先名称: 2,4-Dichloro-6-methyl-1,3,5-triazine
IUPAC: 2,4-dichloro-6-methyl-1,3,5-triazine
現地名: 2,4-ジクロロ-6-メチルトリアジン
英語名: 2,4-Dichloro-6-methyl-1,3,5-triazine
分子式: C4H3Cl2N3
分子量: 163.99

名称と別名

2,4-dichloro-6-methyl-1,3,5-triazine1973-04-21,3,5-Triazine, 2,4-dichloro-6-methyl-DTXSID40274566RefChem:82357DTXCID70226038803-390-8BFUGAHPTVMZLAC-UHFFFAOYSA-NMFCD152036222,4-Dichloro-6-methyltriazineSCHEMBL94294AKOS006333573

名称をさらに表示

2,4-ジクロロ-6-メチルトリアジン2,4-ジクロロ-6-メチル-1,3,5-トリアジン1,3,5-Triazine,2,4-dichloro-6-methyl-2,4-Dichloro-6-methyl-1,3,5-triazine1

SB734442,4-dichloro6-methyl-1,3,5-triazineBS-13160CS-0112249EN300-152890A9044252,4-Dichloro-6-methyl-1,3,5-tSY084711

データベース識別子

CAS: 1973-04-2
PubChem CID: 16083
DTXSID: DTXSID40274566
EC Number: 803-390-8
Nikkaji: J1.517.019K

物性

構造計算による物性

XLogP: 2.3
極性表面積: 38.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 89

物理化学的性質

融点: 97 · 97-98 °C
沸点: 80 · 80-82 °C(Press: 12 Torr)
比重(密度): 1.5 · 1.500±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Sealed in dry,Store in freezer, under -20°C
酸解離定数(Pka): -0.71 · -0.71±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H330 (92.9%): Fatal if inhaled [Danger Acute toxicity, inhalation]

P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；Acute Tox. 2 (92.9%)

安全データ

wgk: 3
ridadr: UN 2923 6.1(8) / PGII
hs_code: 2933698090
risk_code: 14-22-26-34-43
hazard_code: T+,C
safety_code: 26-28-36/37/39-45
hazard_class: IRRITANT

化学と産業

応用分野

使用2,4-Dichloro-6-methyltriazine is a reagent used to prepare triazinyl-amines as inhibitors of HIV-1 reverse transcriptase. It is also used in the synthesis of anilinotriazine corticotropin releasing hormone antagonists.